Velaprumig / 1i9r

A4DAB290_1i9r_K_M | Source PDB: 1i9r | Chains: K, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7207
Max Score
2.0428
Min Score
-4.0121
Total Score
-312.8
Score CDR
-0.4371
Score non-CDR
-0.7568

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVVKPGASVKLSCKASGYIFTSYYMYWVKQAPGQGLEWIGEINPSNGDTNFNEKFKSKATLTVDKSASTAYMELSSLRSEDTAVYYCTRSDGRNDMDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIVLTQSPATLSVSPGERATISCRASQRVSSSTYSYMHWYQQKPGQPPKLLIKYASNLESGVPARFSGSGSGTDFTLTISSVEPEDFATYYCQHSWEIPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) K (Heavy), M (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -4.0121
Maximum Score 2.0428
Average Score -0.7207
Total Score -312.8018

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 Q K -1.2605 Soluble
2 V K -0.2917 Soluble
3 Q K -1.3311 Soluble
4 L K 0.0000 Buried
5 V K -0.0241 Soluble
6 Q K -0.4766 Soluble
7 S K -0.6869 Soluble
8 G K -0.5784 Soluble
9 A K -0.0571 Soluble
11 E K -0.3667 Soluble
12 V K 0.3845 Aggregation-prone
13 V K -0.5038 Soluble
14 K K -1.9647 Soluble
15 P K -1.9537 Soluble
16 G K -1.5334 Soluble
17 A K -1.0579 Soluble
18 S K -1.2807 Soluble
19 V K 0.0000 Buried
20 K K -2.0692 Soluble
21 L K 0.0000 Buried
22 S K -0.6539 Soluble
23 C K 0.0000 Buried
24 K K -1.5250 Soluble
25 A K 0.0000 Buried
26 S K -0.5162 Soluble
27 G K -0.3806 Soluble
28 Y K 0.7504 Aggregation-prone
29 I K 2.0428 Aggregation-prone
30 F K 0.0000 Buried
35 T K -0.0274 Soluble
36 S K 0.4679 Aggregation-prone
37 Y K 0.3566 Aggregation-prone
38 Y K -0.3666 Soluble
39 M K 0.0000 Buried
40 Y K 0.0000 Buried
41 W K 0.0000 Buried
42 V K 0.0000 Buried
43 K K -0.4378 Soluble
44 Q K -0.7837 Soluble
45 A K -1.1504 Soluble
46 P K -1.1527 Soluble
47 G K -1.3110 Soluble
48 Q K -1.8887 Soluble
49 G K -1.4174 Soluble
50 L K 0.0000 Buried
51 E K -0.8570 Soluble
52 W K 0.0000 Buried
53 I K 0.0000 Buried
54 G K 0.0000 Buried
55 E K 0.0000 Buried
56 I K 0.0000 Buried
57 N K -1.4351 Soluble
58 P K 0.0000 Buried
59 S K -1.4114 Soluble
62 N K -2.3946 Soluble
63 G K -2.2623 Soluble
64 D K -2.5904 Soluble
65 T K -1.4525 Soluble
66 N K -1.1648 Soluble
67 F K -1.1696 Soluble
68 N K 0.0000 Buried
69 E K -3.0611 Soluble
70 K K -2.9995 Soluble
71 F K 0.0000 Buried
72 K K -2.4987 Soluble
74 S K -1.5362 Soluble
75 K K -1.5441 Soluble
76 A K 0.0000 Buried
77 T K -0.7484 Soluble
78 L K 0.0000 Buried
79 T K -0.7693 Soluble
80 V K -1.2087 Soluble
81 D K -1.7621 Soluble
82 K K -2.3917 Soluble
83 S K -1.2796 Soluble
84 A K -1.1639 Soluble
85 S K -1.1169 Soluble
86 T K 0.0000 Buried
87 A K 0.0000 Buried
88 Y K -0.4979 Soluble
89 M K 0.0000 Buried
90 E K -1.5039 Soluble
91 L K 0.0000 Buried
92 S K -1.1339 Soluble
93 S K -1.2643 Soluble
94 L K 0.0000 Buried
95 R K -2.9942 Soluble
96 S K -2.3512 Soluble
97 E K -2.5396 Soluble
98 D K 0.0000 Buried
99 T K -0.8158 Soluble
100 A K 0.0000 Buried
101 V K 0.2507 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 T K 0.0000 Buried
106 R K 0.0000 Buried
107 S K 0.0000 Buried
108 D K -0.9576 Soluble
109 G K -1.0254 Soluble
110 R K -1.1215 Soluble
113 N K -0.9527 Soluble
114 D K 0.0000 Buried
115 M K 0.0000 Buried
116 D K -0.8325 Soluble
117 S K -0.5906 Soluble
118 W K -0.5065 Soluble
119 G K 0.0000 Buried
120 Q K -1.2840 Soluble
121 G K 0.0000 Buried
122 T K 0.0000 Buried
123 L K 0.4922 Aggregation-prone
124 V K 0.0000 Buried
125 T K 0.0000 Buried
126 V K 0.0000 Buried
127 S K -1.1818 Soluble
128 S K -0.8894 Soluble
129 A K -0.5977 Soluble
130 S K -0.7015 Soluble
131 T K -0.7729 Soluble
132 K K -1.7275 Soluble
133 G K -1.5470 Soluble
134 P K -0.7121 Soluble
135 S K -0.4265 Soluble
136 V K 0.0000 Buried
137 F K 0.0000 Buried
138 P K 0.0000 Buried
139 L K 0.0000 Buried
140 A K -1.3040 Soluble
141 P K 0.0000 Buried
142 S K -1.0398 Soluble
143 S K -0.6840 Soluble
144 K K -0.9736 Soluble
145 S K 0.0000 Buried
146 T K -0.6477 Soluble
147 S K -0.6512 Soluble
148 G K -0.8314 Soluble
149 G K -0.8693 Soluble
150 T K -0.5971 Soluble
151 A K 0.0000 Buried
152 A K 0.0000 Buried
153 L K 0.0000 Buried
154 G K 0.0000 Buried
155 C K 0.0000 Buried
156 L K 0.0000 Buried
157 V K 0.0000 Buried
158 K K 0.0000 Buried
159 D K -0.5429 Soluble
160 Y K 0.0000 Buried
161 F K 0.0000 Buried
162 P K 0.0000 Buried
163 E K -0.8172 Soluble
164 P K -0.9925 Soluble
165 V K 0.0000 Buried
166 T K -0.6891 Soluble
167 V K -0.3401 Soluble
168 S K -0.3508 Soluble
169 W K 0.0000 Buried
170 N K -0.7071 Soluble
171 S K -0.6229 Soluble
172 G K -0.5586 Soluble
173 A K -0.2327 Soluble
174 L K -0.0527 Soluble
175 T K -0.1857 Soluble
176 S K -0.3850 Soluble
177 G K -0.3996 Soluble
178 V K 0.1869 Aggregation-prone
179 H K 0.0000 Buried
180 T K 0.0852 Aggregation-prone
181 F K 0.0000 Buried
182 P K -0.2347 Soluble
183 A K 0.3815 Aggregation-prone
184 V K 0.6842 Aggregation-prone
185 L K 1.3203 Aggregation-prone
186 Q K 0.2391 Aggregation-prone
187 S K -0.1541 Soluble
188 S K -0.2135 Soluble
189 G K -0.0441 Soluble
190 L K 0.0035 Aggregation-prone
191 Y K 0.0000 Buried
192 S K 0.1733 Aggregation-prone
193 L K 0.0000 Buried
194 S K 0.0000 Buried
195 S K 0.0000 Buried
196 V K 0.0000 Buried
197 V K 0.0000 Buried
198 T K -0.1184 Soluble
199 V K 0.0000 Buried
200 P K -0.6037 Soluble
201 S K -0.6502 Soluble
202 S K -0.5952 Soluble
203 S K -0.6483 Soluble
204 L K -0.7547 Soluble
205 G K -0.9530 Soluble
206 T K -0.7484 Soluble
207 Q K -1.3465 Soluble
208 T K -1.1505 Soluble
209 Y K 0.0000 Buried
210 I K -1.1117 Soluble
211 C K 0.0000 Buried
212 N K -1.2187 Soluble
213 V K 0.0000 Buried
214 N K -1.7978 Soluble
215 H K 0.0000 Buried
216 K K -2.9452 Soluble
217 P K -1.7498 Soluble
218 S K -2.0174 Soluble
219 N K -2.6484 Soluble
220 T K -2.1418 Soluble
221 K K -2.4451 Soluble
222 V K -1.0852 Soluble
223 D K -1.9114 Soluble
224 K K -1.7886 Soluble
225 K K -2.2546 Soluble
226 V K 0.0000 Buried
227 E K -2.8683 Soluble
228 P K -2.0474 Soluble
229 K K -2.4839 Soluble
1 D M -1.5669 Soluble
2 I M 0.0000 Buried
3 V M 0.7506 Aggregation-prone
4 L M 0.0000 Buried
5 T M -0.6402 Soluble
6 Q M 0.0000 Buried
7 S M -0.7585 Soluble
8 P M -0.4009 Soluble
9 A M -0.4989 Soluble
10 T M -0.4765 Soluble
11 L M -0.4272 Soluble
12 S M -0.8339 Soluble
13 V M 0.0000 Buried
14 S M -1.4424 Soluble
15 P M -1.6950 Soluble
16 G M -1.5857 Soluble
17 E M -2.0890 Soluble
18 R M -2.4745 Soluble
19 A M 0.0000 Buried
20 T M -0.5578 Soluble
21 I M 0.0000 Buried
22 S M -0.8622 Soluble
23 C M 0.0000 Buried
24 R M -2.3918 Soluble
25 A M 0.0000 Buried
26 S M -1.0961 Soluble
27 Q M -1.9221 Soluble
28 R M -2.5952 Soluble
29 V M 0.0000 Buried
30 S M 0.0000 Buried
31 S M -0.1558 Soluble
34 S M 0.0242 Aggregation-prone
35 T M 0.4858 Aggregation-prone
36 Y M 1.2558 Aggregation-prone
37 S M 0.3398 Aggregation-prone
38 Y M 0.2220 Aggregation-prone
39 M M 0.0000 Buried
40 H M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M -0.7928 Soluble
44 Q M 0.0000 Buried
45 K M -1.4702 Soluble
46 P M -1.2417 Soluble
47 G M -1.3983 Soluble
48 Q M -1.9773 Soluble
49 P M -1.3250 Soluble
50 P M 0.0000 Buried
51 K M -1.3890 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 K M -0.7386 Soluble
56 Y M 0.0089 Aggregation-prone
57 A M 0.0000 Buried
65 S M -0.7773 Soluble
66 N M -1.3598 Soluble
67 L M -0.6152 Soluble
68 E M -0.8361 Soluble
69 S M -0.6791 Soluble
70 G M -0.5755 Soluble
71 V M 0.0000 Buried
72 P M -0.2755 Soluble
74 A M -0.1259 Soluble
75 R M -0.6056 Soluble
76 F M 0.0000 Buried
77 S M -0.5068 Soluble
78 G M -0.5985 Soluble
79 S M -0.7857 Soluble
80 G M -1.0077 Soluble
83 S M -0.9916 Soluble
84 G M -1.5692 Soluble
85 T M -2.1369 Soluble
86 D M -2.1515 Soluble
87 F M 0.0000 Buried
88 T M -0.7490 Soluble
89 L M 0.0000 Buried
90 T M -0.5802 Soluble
91 I M 0.0000 Buried
92 S M -1.1587 Soluble
93 S M -1.6118 Soluble
94 V M 0.0000 Buried
95 E M -2.1513 Soluble
96 P M -1.6037 Soluble
97 E M -2.2346 Soluble
98 D M 0.0000 Buried
99 F M -0.8042 Soluble
100 A M 0.0000 Buried
101 T M -0.6743 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 H M 0.0000 Buried
107 S M -0.3401 Soluble
108 W M -0.7247 Soluble
109 E M -1.5078 Soluble
114 I M -0.5324 Soluble
115 P M -0.9165 Soluble
116 P M 0.0000 Buried
117 T M -0.1005 Soluble
118 F M 0.2274 Aggregation-prone
119 G M 0.0000 Buried
120 G M -0.8341 Soluble
121 G M -0.6984 Soluble
122 T M 0.0000 Buried
123 K M -1.2627 Soluble
124 L M 0.0000 Buried
125 E M 0.0000 Buried
126 I M -0.7308 Soluble
127 K M -1.6367 Soluble
128 R M -1.0478 Soluble
129 T M -0.1905 Soluble
130 V M 0.0430 Aggregation-prone
131 A M -0.1225 Soluble
132 A M -0.1668 Soluble
133 P M 0.0000 Buried
134 S M -0.1382 Soluble
135 V M 0.0000 Buried
136 F M 0.0000 Buried
137 I M 0.0000 Buried
138 F M 0.0000 Buried
139 P M -0.8436 Soluble
140 P M -1.1668 Soluble
141 S M 0.0000 Buried
142 D M -2.8030 Soluble
143 E M -2.8107 Soluble
144 Q M 0.0000 Buried
145 L M -2.2469 Soluble
146 K M -2.7860 Soluble
147 S M -1.7831 Soluble
148 G M -1.5375 Soluble
149 T M -1.1704 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.7304 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.8249 Soluble
162 R M -3.1573 Soluble
163 E M -3.2843 Soluble
164 A M -2.4843 Soluble
165 K M -2.6364 Soluble
166 V M 0.0000 Buried
167 Q M -1.0627 Soluble
168 W M 0.0000 Buried
169 K M -0.7430 Soluble
170 V M 0.0000 Buried
171 D M -1.8043 Soluble
172 N M -1.5023 Soluble
173 A M -0.3675 Soluble
174 L M 0.2442 Aggregation-prone
175 Q M -0.6445 Soluble
176 S M -0.7852 Soluble
177 G M -1.1370 Soluble
178 N M -1.7385 Soluble
179 S M -1.5178 Soluble
180 Q M -1.3440 Soluble
181 E M -1.8692 Soluble
182 S M -0.7416 Soluble
183 V M -0.7238 Soluble
184 T M -1.1287 Soluble
185 E M -2.2366 Soluble
186 Q M -1.8588 Soluble
187 D M -1.9226 Soluble
188 S M -1.7028 Soluble
189 K M -2.2666 Soluble
190 D M -1.6775 Soluble
191 S M -1.6734 Soluble
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.7799 Soluble
199 L M 0.0000 Buried
200 T M -0.6333 Soluble
201 L M -1.1997 Soluble
202 S M -1.5651 Soluble
203 K M -2.4593 Soluble
204 A M -2.2991 Soluble
205 D M -3.0771 Soluble
206 Y M 0.0000 Buried
207 E M -3.9885 Soluble
208 K M -4.0121 Soluble
209 H M -3.4581 Soluble
210 K M -3.4481 Soluble
211 V M -1.8805 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.7143 Soluble
216 V M 0.0000 Buried
217 T M -1.2903 Soluble
218 H M 0.0000 Buried
219 Q M -1.8413 Soluble
220 G M -0.5543 Soluble
221 L M -0.3045 Soluble
222 S M -0.4821 Soluble
223 S M -0.4214 Soluble
224 P M -0.5087 Soluble
225 V M 0.2738 Aggregation-prone
226 T M -0.2667 Soluble
227 K M -0.5443 Soluble
228 S M -0.6631 Soluble
229 F M 0.0000 Buried
230 N M -2.3218 Soluble
231 R M -3.1497 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
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pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.8021 2.5951 CSV PDB
4.5 -0.8425 2.5951 CSV PDB
5.0 -0.8905 2.5951 CSV PDB
5.5 -0.9353 2.5951 CSV PDB
6.0 -0.9638 2.5951 CSV PDB
6.5 -0.966 2.5951 CSV PDB
7.0 -0.9418 2.5951 CSV PDB
7.5 -0.8998 2.5951 CSV PDB
8.0 -0.8483 2.5951 CSV PDB
8.5 -0.7908 2.5951 CSV PDB
9.0 -0.7282 2.5949 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH